摘要

In this work, we have theoretically investigated the substituent effect on hole mobility of the conjugated alternating polymers typically applied in photovoltaic cells. We found that both linear and nonlinear behaviour of binding energy of polarons with respect to their extension size in two series of polymers. The resistances in the process of polaron's jumping between polymer chains are thus different. The experimental relative hole mobility of two kinds of polymers are well explained. Analysis of substituent effect provides insight into obtaining better hole-transport conjugated polymers in future.